USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -129:sc= 0.151 (180deg=-0.0235) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 56:sc= -0.199 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -1.48! C(o=-1.5!,f=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 65:sc= 0.00564 USER MOD Single : A 25 HIS : no HD1:sc= -3.47! K(o=-3.5!,f=-1.5) USER MOD Single : A 27 THR OG1 : rot 108:sc= -4.87! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -9.85! C(o=-9.9!,f=-12!) USER MOD Single : A 33 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.53) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -2.102 -6.714 23.081 1.00 0.00 N ATOM 2 CA GLU A 1 -0.706 -6.804 22.687 1.00 0.00 C ATOM 3 C GLU A 1 -0.204 -5.445 22.196 1.00 0.00 C ATOM 4 O GLU A 1 -0.954 -4.470 22.183 1.00 0.00 O ATOM 5 CB GLU A 1 -0.507 -7.881 21.619 1.00 0.00 C ATOM 6 CG GLU A 1 -0.641 -9.282 22.220 1.00 0.00 C ATOM 7 CD GLU A 1 -0.288 -10.357 21.191 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.922 -10.495 20.907 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.235 -11.016 20.711 1.00 0.00 O ATOM 0 H1 GLU A 1 -2.220 -7.113 24.034 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.398 -5.717 23.084 1.00 0.00 H new ATOM 0 H3 GLU A 1 -2.688 -7.248 22.407 1.00 0.00 H new ATOM 0 HA GLU A 1 -0.120 -7.091 23.560 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -1.242 -7.751 20.825 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.477 -7.769 21.164 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.014 -9.374 23.086 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -1.661 -9.434 22.574 1.00 0.00 H new ATOM 16 N GLU A 2 1.062 -5.424 21.805 1.00 0.00 N ATOM 17 CA GLU A 2 1.673 -4.200 21.314 1.00 0.00 C ATOM 18 C GLU A 2 2.240 -4.417 19.910 1.00 0.00 C ATOM 19 O GLU A 2 1.993 -5.449 19.289 1.00 0.00 O ATOM 20 CB GLU A 2 2.757 -3.706 22.274 1.00 0.00 C ATOM 21 CG GLU A 2 3.930 -4.688 22.328 1.00 0.00 C ATOM 22 CD GLU A 2 4.822 -4.411 23.540 1.00 0.00 C ATOM 23 OE1 GLU A 2 4.512 -4.972 24.612 1.00 0.00 O ATOM 24 OE2 GLU A 2 5.793 -3.643 23.366 1.00 0.00 O ATOM 0 H GLU A 2 1.681 -6.235 21.818 1.00 0.00 H new ATOM 0 HA GLU A 2 0.905 -3.429 21.259 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.112 -2.726 21.954 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.336 -3.582 23.272 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.552 -5.709 22.376 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.518 -4.608 21.414 1.00 0.00 H new ATOM 31 N TYR A 3 2.990 -3.426 19.450 1.00 0.00 N ATOM 32 CA TYR A 3 3.594 -3.494 18.130 1.00 0.00 C ATOM 33 C TYR A 3 2.527 -3.669 17.047 1.00 0.00 C ATOM 34 O TYR A 3 1.642 -4.513 17.174 1.00 0.00 O ATOM 35 CB TYR A 3 4.497 -4.730 18.144 1.00 0.00 C ATOM 36 CG TYR A 3 4.601 -5.439 16.792 1.00 0.00 C ATOM 37 CD1 TYR A 3 5.341 -4.877 15.773 1.00 0.00 C ATOM 38 CD2 TYR A 3 3.954 -6.642 16.593 1.00 0.00 C ATOM 39 CE1 TYR A 3 5.439 -5.545 14.501 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.051 -7.310 15.321 1.00 0.00 C ATOM 41 CZ TYR A 3 4.789 -6.728 14.338 1.00 0.00 C ATOM 42 OH TYR A 3 4.881 -7.359 13.136 1.00 0.00 O ATOM 0 H TYR A 3 3.193 -2.571 19.968 1.00 0.00 H new ATOM 0 HA TYR A 3 4.142 -2.578 17.910 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.496 -4.434 18.466 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.119 -5.435 18.885 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.847 -3.936 15.929 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.375 -7.082 17.391 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.016 -5.116 13.695 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.549 -8.251 15.152 1.00 0.00 H new ATOM 0 HH TYR A 3 4.368 -8.193 13.164 1.00 0.00 H new ATOM 52 N VAL A 4 2.647 -2.857 16.008 1.00 0.00 N ATOM 53 CA VAL A 4 1.704 -2.910 14.903 1.00 0.00 C ATOM 54 C VAL A 4 2.360 -3.611 13.712 1.00 0.00 C ATOM 55 O VAL A 4 3.198 -4.495 13.891 1.00 0.00 O ATOM 56 CB VAL A 4 1.209 -1.502 14.569 1.00 0.00 C ATOM 57 CG1 VAL A 4 0.688 -0.793 15.821 1.00 0.00 C ATOM 58 CG2 VAL A 4 2.307 -0.681 13.890 1.00 0.00 C ATOM 0 H VAL A 4 3.383 -2.158 15.907 1.00 0.00 H new ATOM 0 HA VAL A 4 0.825 -3.492 15.179 1.00 0.00 H new ATOM 0 HB VAL A 4 0.380 -1.596 13.868 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.342 0.206 15.556 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.139 -1.363 16.244 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.489 -0.716 16.556 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.929 0.316 13.663 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.166 -0.600 14.556 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.610 -1.173 12.966 1.00 0.00 H new ATOM 68 N GLY A 5 1.955 -3.191 12.523 1.00 0.00 N ATOM 69 CA GLY A 5 2.493 -3.768 11.302 1.00 0.00 C ATOM 70 C GLY A 5 1.387 -3.997 10.270 1.00 0.00 C ATOM 71 O GLY A 5 1.668 -4.254 9.100 1.00 0.00 O ATOM 0 H GLY A 5 1.261 -2.458 12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.252 -3.105 10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.985 -4.714 11.529 1.00 0.00 H new ATOM 75 N LEU A 6 0.152 -3.895 10.740 1.00 0.00 N ATOM 76 CA LEU A 6 -0.997 -4.088 9.873 1.00 0.00 C ATOM 77 C LEU A 6 -1.155 -2.867 8.964 1.00 0.00 C ATOM 78 O LEU A 6 -2.022 -2.846 8.092 1.00 0.00 O ATOM 79 CB LEU A 6 -2.245 -4.405 10.699 1.00 0.00 C ATOM 80 CG LEU A 6 -3.043 -3.199 11.199 1.00 0.00 C ATOM 81 CD1 LEU A 6 -2.137 -2.208 11.932 1.00 0.00 C ATOM 82 CD2 LEU A 6 -3.809 -2.536 10.052 1.00 0.00 C ATOM 0 H LEU A 6 -0.077 -3.681 11.711 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.844 -4.951 9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.906 -5.029 10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.944 -4.999 11.562 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.782 -3.552 11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.729 -1.360 12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.676 -2.701 12.788 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.360 -1.856 11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.368 -1.682 10.434 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.105 -2.198 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.500 -3.255 9.613 1.00 0.00 H new ATOM 94 N SER A 7 -0.304 -1.879 9.200 1.00 0.00 N ATOM 95 CA SER A 7 -0.338 -0.658 8.414 1.00 0.00 C ATOM 96 C SER A 7 0.885 0.204 8.732 1.00 0.00 C ATOM 97 O SER A 7 0.771 1.226 9.406 1.00 0.00 O ATOM 98 CB SER A 7 -1.624 0.129 8.675 1.00 0.00 C ATOM 99 OG SER A 7 -1.948 0.178 10.062 1.00 0.00 O ATOM 0 H SER A 7 0.413 -1.900 9.925 1.00 0.00 H new ATOM 0 HA SER A 7 -0.318 -0.930 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.512 1.144 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.447 -0.329 8.126 1.00 0.00 H new ATOM 0 HG SER A 7 -1.194 0.557 10.561 1.00 0.00 H new ATOM 105 N ALA A 8 2.029 -0.241 8.231 1.00 0.00 N ATOM 106 CA ALA A 8 3.272 0.476 8.454 1.00 0.00 C ATOM 107 C ALA A 8 4.447 -0.398 8.010 1.00 0.00 C ATOM 108 O ALA A 8 4.971 -0.228 6.910 1.00 0.00 O ATOM 109 CB ALA A 8 3.372 0.883 9.926 1.00 0.00 C ATOM 0 H ALA A 8 2.120 -1.089 7.672 1.00 0.00 H new ATOM 0 HA ALA A 8 3.298 1.390 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.305 1.421 10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.531 1.527 10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.351 -0.009 10.552 1.00 0.00 H new ATOM 115 N ASN A 9 4.827 -1.314 8.889 1.00 0.00 N ATOM 116 CA ASN A 9 5.930 -2.215 8.601 1.00 0.00 C ATOM 117 C ASN A 9 5.783 -2.756 7.178 1.00 0.00 C ATOM 118 O ASN A 9 6.775 -2.944 6.476 1.00 0.00 O ATOM 119 CB ASN A 9 5.933 -3.406 9.562 1.00 0.00 C ATOM 120 CG ASN A 9 7.293 -3.554 10.247 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.665 -2.785 11.118 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.012 -4.582 9.806 1.00 0.00 N ATOM 0 H ASN A 9 4.391 -1.451 9.801 1.00 0.00 H new ATOM 0 HA ASN A 9 6.860 -1.657 8.715 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.155 -3.273 10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.695 -4.319 9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.935 -4.765 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.641 -5.187 9.074 1.00 0.00 H new ATOM 129 N GLN A 10 4.537 -2.991 6.794 1.00 0.00 N ATOM 130 CA GLN A 10 4.247 -3.507 5.467 1.00 0.00 C ATOM 131 C GLN A 10 4.330 -2.384 4.431 1.00 0.00 C ATOM 132 O GLN A 10 4.742 -2.612 3.295 1.00 0.00 O ATOM 133 CB GLN A 10 2.877 -4.187 5.430 1.00 0.00 C ATOM 134 CG GLN A 10 2.905 -5.429 4.537 1.00 0.00 C ATOM 135 CD GLN A 10 1.490 -5.945 4.271 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.948 -5.815 3.185 1.00 0.00 O ATOM 137 NE2 GLN A 10 0.923 -6.537 5.318 1.00 0.00 N ATOM 0 H GLN A 10 3.716 -2.833 7.379 1.00 0.00 H new ATOM 0 HA GLN A 10 4.996 -4.259 5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.579 -4.468 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.129 -3.486 5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.393 -5.191 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.497 -6.210 5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.432 -6.613 6.199 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.021 -6.916 5.240 1.00 0.00 H new ATOM 146 N CYS A 11 3.931 -1.195 4.861 1.00 0.00 N ATOM 147 CA CYS A 11 3.956 -0.036 3.985 1.00 0.00 C ATOM 148 C CYS A 11 4.982 0.958 4.531 1.00 0.00 C ATOM 149 O CYS A 11 4.697 2.149 4.649 1.00 0.00 O ATOM 150 CB CYS A 11 2.569 0.595 3.843 1.00 0.00 C ATOM 151 SG CYS A 11 1.171 -0.549 4.137 1.00 0.00 S ATOM 0 H CYS A 11 3.589 -1.010 5.804 1.00 0.00 H new ATOM 0 HA CYS A 11 4.249 -0.342 2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.491 1.428 4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.475 1.010 2.840 1.00 0.00 H new ATOM 156 N ALA A 12 6.156 0.432 4.851 1.00 0.00 N ATOM 157 CA ALA A 12 7.226 1.258 5.382 1.00 0.00 C ATOM 158 C ALA A 12 8.235 1.555 4.271 1.00 0.00 C ATOM 159 O ALA A 12 9.444 1.502 4.495 1.00 0.00 O ATOM 160 CB ALA A 12 7.867 0.555 6.580 1.00 0.00 C ATOM 0 H ALA A 12 6.389 -0.556 4.752 1.00 0.00 H new ATOM 0 HA ALA A 12 6.835 2.212 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.670 1.175 6.979 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.115 0.394 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.273 -0.406 6.264 1.00 0.00 H new ATOM 166 N VAL A 13 7.702 1.859 3.097 1.00 0.00 N ATOM 167 CA VAL A 13 8.542 2.163 1.950 1.00 0.00 C ATOM 168 C VAL A 13 8.771 3.674 1.879 1.00 0.00 C ATOM 169 O VAL A 13 7.936 4.455 2.333 1.00 0.00 O ATOM 170 CB VAL A 13 7.915 1.593 0.677 1.00 0.00 C ATOM 171 CG1 VAL A 13 8.971 0.916 -0.199 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.778 0.625 1.011 1.00 0.00 C ATOM 0 H VAL A 13 6.699 1.901 2.915 1.00 0.00 H new ATOM 0 HA VAL A 13 9.519 1.690 2.055 1.00 0.00 H new ATOM 0 HB VAL A 13 7.493 2.424 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.498 0.519 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.732 1.644 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.436 0.101 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.350 0.234 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.166 -0.200 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.007 1.150 1.575 1.00 0.00 H new ATOM 182 N PRO A 14 9.937 4.051 1.289 1.00 0.00 N ATOM 183 CA PRO A 14 10.287 5.455 1.152 1.00 0.00 C ATOM 184 C PRO A 14 9.471 6.117 0.040 1.00 0.00 C ATOM 185 O PRO A 14 8.721 7.059 0.293 1.00 0.00 O ATOM 186 CB PRO A 14 11.782 5.463 0.877 1.00 0.00 C ATOM 187 CG PRO A 14 12.127 4.058 0.409 1.00 0.00 C ATOM 188 CD PRO A 14 10.950 3.155 0.739 1.00 0.00 C ATOM 0 HA PRO A 14 10.057 6.035 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.035 6.201 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.343 5.725 1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.325 4.051 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.031 3.702 0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.584 2.642 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.231 2.386 1.458 1.00 0.00 H new ATOM 196 N ALA A 15 9.645 5.599 -1.167 1.00 0.00 N ATOM 197 CA ALA A 15 8.933 6.129 -2.318 1.00 0.00 C ATOM 198 C ALA A 15 9.621 5.653 -3.599 1.00 0.00 C ATOM 199 O ALA A 15 9.002 5.614 -4.662 1.00 0.00 O ATOM 200 CB ALA A 15 8.870 7.655 -2.222 1.00 0.00 C ATOM 0 H ALA A 15 10.268 4.818 -1.373 1.00 0.00 H new ATOM 0 HA ALA A 15 7.907 5.762 -2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.336 8.052 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.347 7.941 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.882 8.060 -2.203 1.00 0.00 H new ATOM 206 N LYS A 16 10.891 5.304 -3.457 1.00 0.00 N ATOM 207 CA LYS A 16 11.669 4.833 -4.590 1.00 0.00 C ATOM 208 C LYS A 16 11.601 3.306 -4.650 1.00 0.00 C ATOM 209 O LYS A 16 12.204 2.688 -5.526 1.00 0.00 O ATOM 210 CB LYS A 16 13.095 5.384 -4.527 1.00 0.00 C ATOM 211 CG LYS A 16 13.865 4.778 -3.352 1.00 0.00 C ATOM 212 CD LYS A 16 14.554 3.474 -3.762 1.00 0.00 C ATOM 213 CE LYS A 16 16.040 3.503 -3.402 1.00 0.00 C ATOM 214 NZ LYS A 16 16.597 2.132 -3.388 1.00 0.00 N ATOM 0 H LYS A 16 11.401 5.338 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 16 11.249 5.208 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.615 5.164 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.065 6.469 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.609 5.490 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.182 4.588 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.072 2.632 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.439 3.319 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.583 4.115 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.174 3.966 -2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.607 2.170 -3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.090 1.559 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.486 1.703 -4.329 1.00 0.00 H new ATOM 228 N ASP A 17 10.863 2.741 -3.706 1.00 0.00 N ATOM 229 CA ASP A 17 10.709 1.297 -3.640 1.00 0.00 C ATOM 230 C ASP A 17 9.237 0.935 -3.852 1.00 0.00 C ATOM 231 O ASP A 17 8.842 -0.213 -3.655 1.00 0.00 O ATOM 232 CB ASP A 17 11.136 0.760 -2.273 1.00 0.00 C ATOM 233 CG ASP A 17 12.438 -0.043 -2.272 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.898 -0.381 -3.384 1.00 0.00 O ATOM 235 OD2 ASP A 17 12.945 -0.301 -1.159 1.00 0.00 O ATOM 0 H ASP A 17 10.365 3.257 -2.980 1.00 0.00 H new ATOM 0 HA ASP A 17 11.337 0.855 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.244 1.600 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.338 0.130 -1.881 1.00 0.00 H new ATOM 240 N ARG A 18 8.467 1.936 -4.251 1.00 0.00 N ATOM 241 CA ARG A 18 7.047 1.738 -4.492 1.00 0.00 C ATOM 242 C ARG A 18 6.829 1.040 -5.836 1.00 0.00 C ATOM 243 O ARG A 18 7.166 1.587 -6.885 1.00 0.00 O ATOM 244 CB ARG A 18 6.297 3.071 -4.490 1.00 0.00 C ATOM 245 CG ARG A 18 6.820 3.993 -3.386 1.00 0.00 C ATOM 246 CD ARG A 18 6.608 3.370 -2.005 1.00 0.00 C ATOM 247 NE ARG A 18 6.824 4.387 -0.952 1.00 0.00 N ATOM 248 CZ ARG A 18 6.060 5.477 -0.792 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.026 5.696 -1.616 1.00 0.00 N ATOM 250 NH2 ARG A 18 6.330 6.346 0.191 1.00 0.00 N ATOM 0 H ARG A 18 8.799 2.887 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 18 6.658 1.114 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.410 3.557 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.231 2.893 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.881 4.187 -3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.309 4.954 -3.438 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.598 2.966 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.296 2.536 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 18 7.603 4.250 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.821 5.034 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.444 6.525 -1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.117 6.178 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.749 7.175 0.313 1.00 0.00 H new ATOM 264 N VAL A 19 6.267 -0.157 -5.761 1.00 0.00 N ATOM 265 CA VAL A 19 6.000 -0.935 -6.959 1.00 0.00 C ATOM 266 C VAL A 19 4.675 -0.480 -7.573 1.00 0.00 C ATOM 267 O VAL A 19 4.302 -0.927 -8.657 1.00 0.00 O ATOM 268 CB VAL A 19 6.025 -2.429 -6.629 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.981 -3.273 -7.905 1.00 0.00 C ATOM 270 CG2 VAL A 19 7.247 -2.783 -5.779 1.00 0.00 C ATOM 0 H VAL A 19 5.989 -0.608 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 19 6.777 -0.768 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 19 5.134 -2.658 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.000 -4.331 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.067 -3.052 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.845 -3.038 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.240 -3.851 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.156 -2.531 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.217 -2.220 -4.846 1.00 0.00 H new ATOM 280 N ASP A 20 3.999 0.404 -6.854 1.00 0.00 N ATOM 281 CA ASP A 20 2.723 0.925 -7.314 1.00 0.00 C ATOM 282 C ASP A 20 1.757 -0.239 -7.549 1.00 0.00 C ATOM 283 O ASP A 20 1.976 -1.062 -8.436 1.00 0.00 O ATOM 284 CB ASP A 20 2.881 1.682 -8.634 1.00 0.00 C ATOM 285 CG ASP A 20 1.578 1.934 -9.395 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.547 2.115 -8.711 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.642 1.941 -10.643 1.00 0.00 O ATOM 0 H ASP A 20 4.311 0.773 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 20 2.341 1.605 -6.552 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.357 2.641 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.558 1.121 -9.278 1.00 0.00 H new ATOM 292 N CYS A 21 0.709 -0.269 -6.739 1.00 0.00 N ATOM 293 CA CYS A 21 -0.290 -1.318 -6.848 1.00 0.00 C ATOM 294 C CYS A 21 -1.323 -0.891 -7.893 1.00 0.00 C ATOM 295 O CYS A 21 -2.018 -1.730 -8.463 1.00 0.00 O ATOM 296 CB CYS A 21 -0.939 -1.623 -5.496 1.00 0.00 C ATOM 297 SG CYS A 21 -1.091 -3.404 -5.102 1.00 0.00 S ATOM 0 H CYS A 21 0.530 0.416 -6.005 1.00 0.00 H new ATOM 0 HA CYS A 21 0.186 -2.245 -7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.356 -1.140 -4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.932 -1.175 -5.476 1.00 0.00 H new ATOM 302 N GLY A 22 -1.390 0.414 -8.113 1.00 0.00 N ATOM 303 CA GLY A 22 -2.325 0.963 -9.080 1.00 0.00 C ATOM 304 C GLY A 22 -3.769 0.804 -8.597 1.00 0.00 C ATOM 305 O GLY A 22 -4.379 -0.246 -8.790 1.00 0.00 O ATOM 0 H GLY A 22 -0.812 1.107 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.107 2.018 -9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.201 0.459 -10.038 1.00 0.00 H new ATOM 309 N TYR A 23 -4.272 1.862 -7.979 1.00 0.00 N ATOM 310 CA TYR A 23 -5.632 1.853 -7.467 1.00 0.00 C ATOM 311 C TYR A 23 -6.289 3.224 -7.633 1.00 0.00 C ATOM 312 O TYR A 23 -5.630 4.254 -7.495 1.00 0.00 O ATOM 313 CB TYR A 23 -5.519 1.532 -5.976 1.00 0.00 C ATOM 314 CG TYR A 23 -5.527 0.035 -5.659 1.00 0.00 C ATOM 315 CD1 TYR A 23 -4.386 -0.717 -5.852 1.00 0.00 C ATOM 316 CD2 TYR A 23 -6.675 -0.563 -5.180 1.00 0.00 C ATOM 317 CE1 TYR A 23 -4.393 -2.126 -5.554 1.00 0.00 C ATOM 318 CE2 TYR A 23 -6.682 -1.972 -4.882 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.541 -2.684 -5.084 1.00 0.00 C ATOM 320 OH TYR A 23 -5.548 -4.015 -4.803 1.00 0.00 O ATOM 0 H TYR A 23 -3.762 2.731 -7.821 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.240 1.127 -8.006 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.599 1.970 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.345 2.009 -5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.488 -0.249 -6.227 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.568 0.026 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.507 -2.726 -5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.573 -2.452 -4.507 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.936 -4.196 -4.060 1.00 0.00 H new ATOM 330 N PRO A 24 -7.615 3.194 -7.935 1.00 0.00 N ATOM 331 CA PRO A 24 -8.369 4.422 -8.121 1.00 0.00 C ATOM 332 C PRO A 24 -8.654 5.099 -6.779 1.00 0.00 C ATOM 333 O PRO A 24 -8.079 6.141 -6.470 1.00 0.00 O ATOM 334 CB PRO A 24 -9.632 4.001 -8.854 1.00 0.00 C ATOM 335 CG PRO A 24 -9.758 2.501 -8.641 1.00 0.00 C ATOM 336 CD PRO A 24 -8.429 1.994 -8.106 1.00 0.00 C ATOM 0 HA PRO A 24 -7.821 5.169 -8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.504 4.525 -8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.566 4.240 -9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.562 2.281 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.008 2.002 -9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.558 1.466 -7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.963 1.295 -8.801 1.00 0.00 H new ATOM 344 N HIS A 25 -9.543 4.478 -6.017 1.00 0.00 N ATOM 345 CA HIS A 25 -9.912 5.008 -4.715 1.00 0.00 C ATOM 346 C HIS A 25 -8.966 4.452 -3.648 1.00 0.00 C ATOM 347 O HIS A 25 -9.286 3.470 -2.981 1.00 0.00 O ATOM 348 CB HIS A 25 -11.384 4.722 -4.409 1.00 0.00 C ATOM 349 CG HIS A 25 -11.723 3.252 -4.342 1.00 0.00 C ATOM 350 ND1 HIS A 25 -13.014 2.788 -4.159 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.927 2.149 -4.436 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.984 1.464 -4.144 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.690 1.069 -4.316 1.00 0.00 N ATOM 0 H HIS A 25 -10.018 3.613 -6.276 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.805 6.093 -4.716 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.644 5.188 -3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -12.002 5.192 -5.174 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.857 2.153 -4.583 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.835 0.811 -4.018 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.363 0.104 -4.347 1.00 0.00 H new ATOM 362 N VAL A 26 -7.821 5.106 -3.520 1.00 0.00 N ATOM 363 CA VAL A 26 -6.826 4.690 -2.546 1.00 0.00 C ATOM 364 C VAL A 26 -6.973 5.536 -1.280 1.00 0.00 C ATOM 365 O VAL A 26 -7.197 6.743 -1.359 1.00 0.00 O ATOM 366 CB VAL A 26 -5.427 4.770 -3.160 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.278 3.778 -4.315 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.109 6.195 -3.616 1.00 0.00 C ATOM 0 H VAL A 26 -7.560 5.921 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.982 3.649 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.706 4.497 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.275 3.855 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.441 2.765 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.012 4.006 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.109 6.224 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.837 6.509 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.154 6.869 -2.761 1.00 0.00 H new ATOM 378 N THR A 27 -6.841 4.870 -0.143 1.00 0.00 N ATOM 379 CA THR A 27 -6.956 5.546 1.138 1.00 0.00 C ATOM 380 C THR A 27 -6.080 4.857 2.186 1.00 0.00 C ATOM 381 O THR A 27 -5.563 3.767 1.948 1.00 0.00 O ATOM 382 CB THR A 27 -8.437 5.590 1.519 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.716 4.271 1.981 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.349 5.759 0.302 1.00 0.00 C ATOM 0 H THR A 27 -6.655 3.869 -0.082 1.00 0.00 H new ATOM 0 HA THR A 27 -6.590 6.571 1.077 1.00 0.00 H new ATOM 0 HB THR A 27 -8.608 6.409 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.832 4.283 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.389 5.784 0.627 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.106 6.691 -0.208 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.203 4.922 -0.381 1.00 0.00 H new ATOM 392 N PRO A 28 -5.936 5.539 3.354 1.00 0.00 N ATOM 393 CA PRO A 28 -5.131 5.004 4.439 1.00 0.00 C ATOM 394 C PRO A 28 -5.861 3.866 5.154 1.00 0.00 C ATOM 395 O PRO A 28 -5.738 3.711 6.368 1.00 0.00 O ATOM 396 CB PRO A 28 -4.852 6.193 5.345 1.00 0.00 C ATOM 397 CG PRO A 28 -5.891 7.243 4.986 1.00 0.00 C ATOM 398 CD PRO A 28 -6.533 6.833 3.671 1.00 0.00 C ATOM 0 HA PRO A 28 -4.199 4.558 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.929 5.911 6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.842 6.574 5.190 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.644 7.319 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.426 8.224 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.616 6.757 3.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.333 7.564 2.888 1.00 0.00 H new ATOM 406 N LYS A 29 -6.605 3.099 4.370 1.00 0.00 N ATOM 407 CA LYS A 29 -7.356 1.980 4.913 1.00 0.00 C ATOM 408 C LYS A 29 -8.014 1.208 3.768 1.00 0.00 C ATOM 409 O LYS A 29 -7.929 -0.018 3.710 1.00 0.00 O ATOM 410 CB LYS A 29 -8.344 2.462 5.977 1.00 0.00 C ATOM 411 CG LYS A 29 -8.638 1.357 6.994 1.00 0.00 C ATOM 412 CD LYS A 29 -9.966 0.664 6.682 1.00 0.00 C ATOM 413 CE LYS A 29 -10.764 0.406 7.961 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.652 -0.765 7.791 1.00 0.00 N ATOM 0 H LYS A 29 -6.704 3.231 3.363 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.688 1.286 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.936 3.333 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.272 2.778 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.831 0.625 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.672 1.781 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.552 1.282 6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.776 -0.280 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.082 0.235 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.357 1.286 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.186 -0.926 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.315 -0.587 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.080 -1.606 7.575 1.00 0.00 H new ATOM 428 N GLU A 30 -8.655 1.958 2.883 1.00 0.00 N ATOM 429 CA GLU A 30 -9.327 1.361 1.742 1.00 0.00 C ATOM 430 C GLU A 30 -8.301 0.796 0.757 1.00 0.00 C ATOM 431 O GLU A 30 -8.564 -0.198 0.082 1.00 0.00 O ATOM 432 CB GLU A 30 -10.247 2.372 1.056 1.00 0.00 C ATOM 433 CG GLU A 30 -11.455 1.676 0.427 1.00 0.00 C ATOM 434 CD GLU A 30 -12.738 2.006 1.193 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.901 3.196 1.540 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.527 1.062 1.413 1.00 0.00 O ATOM 0 H GLU A 30 -8.723 2.974 2.934 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.948 0.540 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.586 3.111 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.692 2.911 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.558 1.987 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.297 0.598 0.423 1.00 0.00 H new ATOM 443 N CYS A 31 -7.152 1.455 0.707 1.00 0.00 N ATOM 444 CA CYS A 31 -6.085 1.032 -0.184 1.00 0.00 C ATOM 445 C CYS A 31 -5.358 -0.148 0.464 1.00 0.00 C ATOM 446 O CYS A 31 -4.814 -1.005 -0.231 1.00 0.00 O ATOM 447 CB CYS A 31 -5.130 2.182 -0.510 1.00 0.00 C ATOM 448 SG CYS A 31 -3.456 1.664 -1.037 1.00 0.00 S ATOM 0 H CYS A 31 -6.937 2.279 1.269 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.508 0.717 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.572 2.790 -1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.038 2.819 0.369 1.00 0.00 H new ATOM 453 N ASN A 32 -5.371 -0.154 1.789 1.00 0.00 N ATOM 454 CA ASN A 32 -4.719 -1.214 2.539 1.00 0.00 C ATOM 455 C ASN A 32 -5.744 -2.297 2.880 1.00 0.00 C ATOM 456 O ASN A 32 -5.413 -3.290 3.525 1.00 0.00 O ATOM 457 CB ASN A 32 -4.138 -0.683 3.851 1.00 0.00 C ATOM 458 CG ASN A 32 -3.547 0.715 3.664 1.00 0.00 C ATOM 459 OD1 ASN A 32 -2.357 0.892 3.460 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.441 1.696 3.743 1.00 0.00 N ATOM 0 H ASN A 32 -5.823 0.558 2.362 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.914 -1.616 1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.918 -0.653 4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.366 -1.363 4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.145 2.666 3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.422 1.479 3.916 1.00 0.00 H new ATOM 467 N ASN A 33 -6.970 -2.069 2.430 1.00 0.00 N ATOM 468 CA ASN A 33 -8.046 -3.012 2.679 1.00 0.00 C ATOM 469 C ASN A 33 -8.320 -3.814 1.405 1.00 0.00 C ATOM 470 O ASN A 33 -8.555 -5.020 1.465 1.00 0.00 O ATOM 471 CB ASN A 33 -9.336 -2.287 3.068 1.00 0.00 C ATOM 472 CG ASN A 33 -10.485 -3.278 3.261 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.448 -4.156 4.107 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.507 -3.089 2.430 1.00 0.00 N ATOM 0 H ASN A 33 -7.241 -1.244 1.894 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.739 -3.665 3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.178 -1.724 3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.599 -1.566 2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.323 -3.699 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.474 -2.334 1.744 1.00 0.00 H new ATOM 481 N ARG A 34 -8.282 -3.112 0.282 1.00 0.00 N ATOM 482 CA ARG A 34 -8.523 -3.743 -1.004 1.00 0.00 C ATOM 483 C ARG A 34 -7.531 -4.886 -1.229 1.00 0.00 C ATOM 484 O ARG A 34 -7.837 -5.848 -1.932 1.00 0.00 O ATOM 485 CB ARG A 34 -8.394 -2.733 -2.146 1.00 0.00 C ATOM 486 CG ARG A 34 -9.425 -3.010 -3.242 1.00 0.00 C ATOM 487 CD ARG A 34 -9.080 -4.287 -4.010 1.00 0.00 C ATOM 488 NE ARG A 34 -9.607 -4.205 -5.391 1.00 0.00 N ATOM 489 CZ ARG A 34 -9.725 -5.256 -6.213 1.00 0.00 C ATOM 490 NH1 ARG A 34 -9.354 -6.476 -5.800 1.00 0.00 N ATOM 491 NH2 ARG A 34 -10.214 -5.088 -7.449 1.00 0.00 N ATOM 0 H ARG A 34 -8.088 -2.112 0.236 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.540 -4.136 -0.995 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.531 -1.723 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.389 -2.780 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.416 -3.105 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.464 -2.166 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.999 -4.427 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.503 -5.153 -3.501 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.898 -3.291 -5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.982 -6.605 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.444 -7.276 -6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.496 -4.160 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.304 -5.888 -8.075 1.00 0.00 H new ATOM 505 N GLY A 35 -6.364 -4.744 -0.618 1.00 0.00 N ATOM 506 CA GLY A 35 -5.326 -5.752 -0.743 1.00 0.00 C ATOM 507 C GLY A 35 -4.026 -5.139 -1.266 1.00 0.00 C ATOM 508 O GLY A 35 -3.670 -5.327 -2.428 1.00 0.00 O ATOM 0 H GLY A 35 -6.115 -3.945 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.148 -6.218 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.659 -6.540 -1.419 1.00 0.00 H new ATOM 512 N CYS A 36 -3.352 -4.417 -0.382 1.00 0.00 N ATOM 513 CA CYS A 36 -2.098 -3.775 -0.740 1.00 0.00 C ATOM 514 C CYS A 36 -1.717 -2.808 0.382 1.00 0.00 C ATOM 515 O CYS A 36 -2.176 -2.952 1.514 1.00 0.00 O ATOM 516 CB CYS A 36 -2.191 -3.070 -2.095 1.00 0.00 C ATOM 517 SG CYS A 36 -0.951 -3.611 -3.328 1.00 0.00 S ATOM 0 H CYS A 36 -3.651 -4.262 0.581 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.318 -4.528 -0.849 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.187 -3.234 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.083 -1.997 -1.939 1.00 0.00 H new ATOM 522 N CYS A 37 -0.880 -1.843 0.029 1.00 0.00 N ATOM 523 CA CYS A 37 -0.432 -0.852 0.992 1.00 0.00 C ATOM 524 C CYS A 37 -0.797 0.535 0.460 1.00 0.00 C ATOM 525 O CYS A 37 -0.922 0.727 -0.749 1.00 0.00 O ATOM 526 CB CYS A 37 1.067 -0.977 1.276 1.00 0.00 C ATOM 527 SG CYS A 37 1.492 -2.074 2.678 1.00 0.00 S ATOM 0 H CYS A 37 -0.501 -1.727 -0.911 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.932 -1.017 1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.563 -1.348 0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.469 0.016 1.475 1.00 0.00 H new ATOM 532 N PHE A 38 -0.958 1.467 1.388 1.00 0.00 N ATOM 533 CA PHE A 38 -1.307 2.831 1.028 1.00 0.00 C ATOM 534 C PHE A 38 -0.230 3.813 1.494 1.00 0.00 C ATOM 535 O PHE A 38 0.728 3.421 2.158 1.00 0.00 O ATOM 536 CB PHE A 38 -2.622 3.159 1.738 1.00 0.00 C ATOM 537 CG PHE A 38 -3.066 4.615 1.584 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.744 5.004 0.471 1.00 0.00 C ATOM 539 CD2 PHE A 38 -2.782 5.519 2.559 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.156 6.356 0.328 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.194 6.870 2.416 1.00 0.00 C ATOM 542 CZ PHE A 38 -3.873 7.260 1.303 1.00 0.00 C ATOM 0 H PHE A 38 -0.853 1.304 2.389 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.397 2.919 -0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.405 2.508 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.517 2.932 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.969 4.286 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.243 5.209 3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.694 6.666 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.969 7.588 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.187 8.288 1.194 1.00 0.00 H new ATOM 552 N ASP A 39 -0.424 5.071 1.127 1.00 0.00 N ATOM 553 CA ASP A 39 0.518 6.113 1.498 1.00 0.00 C ATOM 554 C ASP A 39 0.071 7.442 0.885 1.00 0.00 C ATOM 555 O ASP A 39 -0.435 7.473 -0.235 1.00 0.00 O ATOM 556 CB ASP A 39 1.921 5.799 0.975 1.00 0.00 C ATOM 557 CG ASP A 39 2.979 6.861 1.283 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.528 6.805 2.404 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.214 7.704 0.391 1.00 0.00 O ATOM 0 H ASP A 39 -1.220 5.392 0.576 1.00 0.00 H new ATOM 0 HA ASP A 39 0.544 6.172 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.247 4.849 1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.868 5.663 -0.105 1.00 0.00 H new ATOM 564 N SER A 40 0.274 8.506 1.647 1.00 0.00 N ATOM 565 CA SER A 40 -0.102 9.834 1.193 1.00 0.00 C ATOM 566 C SER A 40 0.974 10.847 1.590 1.00 0.00 C ATOM 567 O SER A 40 0.720 12.051 1.613 1.00 0.00 O ATOM 568 CB SER A 40 -1.459 10.249 1.766 1.00 0.00 C ATOM 569 OG SER A 40 -1.426 10.364 3.186 1.00 0.00 O ATOM 0 H SER A 40 0.694 8.476 2.576 1.00 0.00 H new ATOM 0 HA SER A 40 -0.188 9.812 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.760 11.203 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.213 9.516 1.479 1.00 0.00 H new ATOM 0 HG SER A 40 -2.310 10.632 3.513 1.00 0.00 H new ATOM 575 N ARG A 41 2.152 10.323 1.894 1.00 0.00 N ATOM 576 CA ARG A 41 3.267 11.166 2.289 1.00 0.00 C ATOM 577 C ARG A 41 3.760 11.988 1.096 1.00 0.00 C ATOM 578 O ARG A 41 4.223 13.115 1.263 1.00 0.00 O ATOM 579 CB ARG A 41 4.425 10.329 2.836 1.00 0.00 C ATOM 580 CG ARG A 41 5.081 11.017 4.035 1.00 0.00 C ATOM 581 CD ARG A 41 6.607 10.971 3.925 1.00 0.00 C ATOM 582 NE ARG A 41 7.181 10.321 5.125 1.00 0.00 N ATOM 583 CZ ARG A 41 8.382 9.728 5.155 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.143 9.699 4.053 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.822 9.164 6.289 1.00 0.00 N ATOM 0 H ARG A 41 2.359 9.324 1.875 1.00 0.00 H new ATOM 0 HA ARG A 41 2.914 11.834 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.060 9.346 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.166 10.171 2.052 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.748 12.053 4.092 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.764 10.529 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.899 10.423 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.003 11.981 3.824 1.00 0.00 H new ATOM 0 HE ARG A 41 6.628 10.325 5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.808 10.129 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.057 9.247 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.242 9.187 7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.736 8.712 6.313 1.00 0.00 H new ATOM 599 N ILE A 42 3.645 11.391 -0.081 1.00 0.00 N ATOM 600 CA ILE A 42 4.073 12.053 -1.302 1.00 0.00 C ATOM 601 C ILE A 42 3.262 11.513 -2.481 1.00 0.00 C ATOM 602 O ILE A 42 3.214 10.304 -2.705 1.00 0.00 O ATOM 603 CB ILE A 42 5.586 11.917 -1.482 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.126 10.718 -0.700 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.302 13.216 -1.106 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.504 9.412 -1.200 1.00 0.00 C ATOM 0 H ILE A 42 3.261 10.455 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 42 3.877 13.124 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 42 5.789 11.731 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.210 10.671 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.911 10.845 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.376 13.092 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.946 14.025 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.095 13.457 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.905 8.576 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.422 9.453 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.742 9.276 -2.255 1.00 0.00 H new ATOM 618 N PRO A 43 2.628 12.459 -3.224 1.00 0.00 N ATOM 619 CA PRO A 43 1.822 12.091 -4.375 1.00 0.00 C ATOM 620 C PRO A 43 2.705 11.702 -5.562 1.00 0.00 C ATOM 621 O PRO A 43 2.347 10.824 -6.346 1.00 0.00 O ATOM 622 CB PRO A 43 0.955 13.308 -4.654 1.00 0.00 C ATOM 623 CG PRO A 43 1.631 14.472 -3.948 1.00 0.00 C ATOM 624 CD PRO A 43 2.662 13.900 -2.989 1.00 0.00 C ATOM 0 HA PRO A 43 1.204 11.212 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.876 13.494 -5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.058 13.160 -4.280 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.108 15.132 -4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.897 15.069 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.653 14.310 -3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.416 14.138 -1.954 1.00 0.00 H new ATOM 632 N GLY A 44 3.843 12.374 -5.657 1.00 0.00 N ATOM 633 CA GLY A 44 4.781 12.110 -6.735 1.00 0.00 C ATOM 634 C GLY A 44 4.945 10.605 -6.962 1.00 0.00 C ATOM 635 O GLY A 44 5.211 10.168 -8.081 1.00 0.00 O ATOM 0 H GLY A 44 4.137 13.101 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.430 12.584 -7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.748 12.553 -6.497 1.00 0.00 H new ATOM 639 N VAL A 45 4.781 9.855 -5.882 1.00 0.00 N ATOM 640 CA VAL A 45 4.908 8.409 -5.950 1.00 0.00 C ATOM 641 C VAL A 45 3.516 7.776 -5.902 1.00 0.00 C ATOM 642 O VAL A 45 2.521 8.470 -5.698 1.00 0.00 O ATOM 643 CB VAL A 45 5.829 7.912 -4.833 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.904 8.950 -4.507 1.00 0.00 C ATOM 645 CG2 VAL A 45 5.026 7.542 -3.584 1.00 0.00 C ATOM 0 H VAL A 45 4.561 10.221 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 45 5.369 8.110 -6.891 1.00 0.00 H new ATOM 0 HB VAL A 45 6.330 7.011 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.545 8.572 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.505 9.143 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.429 9.876 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.704 7.192 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.485 8.418 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.316 6.752 -3.829 1.00 0.00 H new ATOM 655 N PRO A 46 3.489 6.431 -6.100 1.00 0.00 N ATOM 656 CA PRO A 46 2.235 5.697 -6.082 1.00 0.00 C ATOM 657 C PRO A 46 1.717 5.532 -4.652 1.00 0.00 C ATOM 658 O PRO A 46 2.076 4.577 -3.964 1.00 0.00 O ATOM 659 CB PRO A 46 2.546 4.371 -6.758 1.00 0.00 C ATOM 660 CG PRO A 46 4.058 4.224 -6.712 1.00 0.00 C ATOM 661 CD PRO A 46 4.647 5.576 -6.345 1.00 0.00 C ATOM 0 HA PRO A 46 1.434 6.218 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.057 3.545 -6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.184 4.362 -7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.346 3.471 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.439 3.891 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.281 5.505 -5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.267 5.970 -7.151 1.00 0.00 H new ATOM 669 N TRP A 47 0.881 6.477 -4.247 1.00 0.00 N ATOM 670 CA TRP A 47 0.310 6.448 -2.911 1.00 0.00 C ATOM 671 C TRP A 47 0.088 4.985 -2.523 1.00 0.00 C ATOM 672 O TRP A 47 0.589 4.528 -1.497 1.00 0.00 O ATOM 673 CB TRP A 47 -0.969 7.285 -2.844 1.00 0.00 C ATOM 674 CG TRP A 47 -0.734 8.752 -2.476 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.360 9.493 -2.697 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.665 9.630 -1.809 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.203 10.779 -2.224 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.067 10.866 -1.667 1.00 0.00 C ATOM 679 CE3 TRP A 47 -2.969 9.389 -1.342 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.698 11.957 -1.058 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.586 10.490 -0.736 1.00 0.00 C ATOM 682 CH2 TRP A 47 -2.998 11.740 -0.585 1.00 0.00 C ATOM 0 H TRP A 47 0.585 7.267 -4.820 1.00 0.00 H new ATOM 0 HA TRP A 47 0.992 6.899 -2.190 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.472 7.239 -3.810 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.644 6.841 -2.112 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.253 9.129 -3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.893 11.529 -2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.456 8.430 -1.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.209 12.915 -0.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.590 10.359 -0.359 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.541 12.541 -0.105 1.00 0.00 H new ATOM 693 N CYS A 48 -0.663 4.290 -3.365 1.00 0.00 N ATOM 694 CA CYS A 48 -0.957 2.888 -3.123 1.00 0.00 C ATOM 695 C CYS A 48 0.107 2.045 -3.829 1.00 0.00 C ATOM 696 O CYS A 48 0.134 1.973 -5.057 1.00 0.00 O ATOM 697 CB CYS A 48 -2.371 2.520 -3.578 1.00 0.00 C ATOM 698 SG CYS A 48 -3.090 1.059 -2.743 1.00 0.00 S ATOM 0 H CYS A 48 -1.077 4.672 -4.216 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.927 2.687 -2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.026 3.375 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.356 2.336 -4.652 1.00 0.00 H new ATOM 703 N PHE A 49 0.958 1.427 -3.022 1.00 0.00 N ATOM 704 CA PHE A 49 2.021 0.592 -3.554 1.00 0.00 C ATOM 705 C PHE A 49 2.047 -0.771 -2.859 1.00 0.00 C ATOM 706 O PHE A 49 1.448 -0.942 -1.799 1.00 0.00 O ATOM 707 CB PHE A 49 3.340 1.318 -3.279 1.00 0.00 C ATOM 708 CG PHE A 49 3.463 1.866 -1.856 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.570 1.011 -0.804 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.464 3.210 -1.643 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.684 1.521 0.517 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.578 3.719 -0.322 1.00 0.00 C ATOM 713 CZ PHE A 49 3.686 2.864 0.729 1.00 0.00 C ATOM 0 H PHE A 49 0.932 1.488 -2.004 1.00 0.00 H new ATOM 0 HA PHE A 49 1.864 0.423 -4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.166 0.632 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.444 2.142 -3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.568 -0.056 -0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.378 3.889 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.769 0.842 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.579 4.786 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.773 3.252 1.733 1.00 0.00 H new ATOM 723 N LYS A 50 2.748 -1.705 -3.485 1.00 0.00 N ATOM 724 CA LYS A 50 2.860 -3.047 -2.941 1.00 0.00 C ATOM 725 C LYS A 50 3.527 -2.981 -1.565 1.00 0.00 C ATOM 726 O LYS A 50 4.157 -1.981 -1.225 1.00 0.00 O ATOM 727 CB LYS A 50 3.579 -3.968 -3.928 1.00 0.00 C ATOM 728 CG LYS A 50 2.690 -4.281 -5.133 1.00 0.00 C ATOM 729 CD LYS A 50 2.855 -5.737 -5.573 1.00 0.00 C ATOM 730 CE LYS A 50 3.118 -5.829 -7.078 1.00 0.00 C ATOM 731 NZ LYS A 50 2.259 -6.866 -7.691 1.00 0.00 N ATOM 0 H LYS A 50 3.244 -1.558 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 50 1.871 -3.482 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.502 -3.496 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.859 -4.895 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.647 -4.090 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.944 -3.617 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.680 -6.194 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.956 -6.300 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.924 -4.864 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.167 -6.065 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.450 -6.916 -8.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.463 -7.788 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.259 -6.624 -7.537 1.00 0.00 H new ATOM 745 N PRO A 51 3.360 -4.086 -0.791 1.00 0.00 N ATOM 746 CA PRO A 51 3.938 -4.163 0.540 1.00 0.00 C ATOM 747 C PRO A 51 5.448 -4.398 0.469 1.00 0.00 C ATOM 748 O PRO A 51 5.900 -5.379 -0.119 1.00 0.00 O ATOM 749 CB PRO A 51 3.192 -5.295 1.228 1.00 0.00 C ATOM 750 CG PRO A 51 2.554 -6.111 0.115 1.00 0.00 C ATOM 751 CD PRO A 51 2.619 -5.289 -1.162 1.00 0.00 C ATOM 0 HA PRO A 51 3.830 -3.234 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.872 -5.907 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.436 -4.907 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.079 -7.058 -0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.520 -6.351 0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.124 -5.835 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.621 -5.043 -1.526 1.00 0.00 H new ATOM 759 N LEU A 52 6.186 -3.481 1.077 1.00 0.00 N ATOM 760 CA LEU A 52 7.636 -3.576 1.090 1.00 0.00 C ATOM 761 C LEU A 52 8.046 -5.047 1.186 1.00 0.00 C ATOM 762 O LEU A 52 7.518 -5.789 2.012 1.00 0.00 O ATOM 763 CB LEU A 52 8.220 -2.701 2.201 1.00 0.00 C ATOM 764 CG LEU A 52 9.616 -3.087 2.695 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.247 -1.949 3.499 1.00 0.00 C ATOM 766 CD2 LEU A 52 9.575 -4.395 3.488 1.00 0.00 C ATOM 0 H LEU A 52 5.807 -2.669 1.564 1.00 0.00 H new ATOM 0 HA LEU A 52 8.051 -3.189 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.254 -1.671 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.537 -2.722 3.050 1.00 0.00 H new ATOM 0 HG LEU A 52 10.251 -3.258 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.238 -2.249 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.332 -1.063 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.621 -1.723 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.580 -4.646 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.919 -4.277 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.196 -5.195 2.851 1.00 0.00 H new ATOM 778 N GLN A 53 8.984 -5.424 0.330 1.00 0.00 N ATOM 779 CA GLN A 53 9.470 -6.793 0.308 1.00 0.00 C ATOM 780 C GLN A 53 10.183 -7.124 1.621 1.00 0.00 C ATOM 781 O GLN A 53 11.410 -7.189 1.666 1.00 0.00 O ATOM 782 CB GLN A 53 10.392 -7.028 -0.891 1.00 0.00 C ATOM 783 CG GLN A 53 9.624 -7.651 -2.059 1.00 0.00 C ATOM 784 CD GLN A 53 8.337 -6.875 -2.344 1.00 0.00 C ATOM 785 OE1 GLN A 53 7.270 -7.438 -2.528 1.00 0.00 O ATOM 786 NE2 GLN A 53 8.495 -5.555 -2.371 1.00 0.00 N ATOM 0 H GLN A 53 9.420 -4.805 -0.353 1.00 0.00 H new ATOM 0 HA GLN A 53 8.615 -7.460 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.834 -6.083 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.213 -7.683 -0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.253 -7.659 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.384 -8.689 -1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.416 -5.148 -2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.695 -4.949 -2.554 1.00 0.00 H new ATOM 795 N GLU A 54 9.382 -7.326 2.657 1.00 0.00 N ATOM 796 CA GLU A 54 9.920 -7.649 3.967 1.00 0.00 C ATOM 797 C GLU A 54 10.996 -8.731 3.847 1.00 0.00 C ATOM 798 O GLU A 54 10.714 -9.845 3.409 1.00 0.00 O ATOM 799 CB GLU A 54 8.809 -8.084 4.924 1.00 0.00 C ATOM 800 CG GLU A 54 8.500 -9.574 4.764 1.00 0.00 C ATOM 801 CD GLU A 54 7.243 -9.960 5.547 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.184 -9.365 5.250 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.369 -10.842 6.423 1.00 0.00 O ATOM 0 H GLU A 54 8.364 -7.272 2.615 1.00 0.00 H new ATOM 0 HA GLU A 54 10.380 -6.751 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.109 -7.879 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.909 -7.500 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.362 -9.809 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.347 -10.164 5.114 1.00 0.00 H new ATOM 810 N ALA A 55 12.206 -8.364 4.243 1.00 0.00 N ATOM 811 CA ALA A 55 13.324 -9.289 4.186 1.00 0.00 C ATOM 812 C ALA A 55 14.284 -8.995 5.340 1.00 0.00 C ATOM 813 O ALA A 55 15.003 -7.997 5.316 1.00 0.00 O ATOM 814 CB ALA A 55 14.006 -9.183 2.820 1.00 0.00 C ATOM 0 H ALA A 55 12.436 -7.438 4.605 1.00 0.00 H new ATOM 0 HA ALA A 55 12.977 -10.316 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.845 -9.877 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.290 -9.430 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.369 -8.166 2.672 1.00 0.00 H new ATOM 820 N GLU A 56 14.265 -9.882 6.324 1.00 0.00 N ATOM 821 CA GLU A 56 15.124 -9.730 7.486 1.00 0.00 C ATOM 822 C GLU A 56 16.582 -9.573 7.050 1.00 0.00 C ATOM 823 O GLU A 56 17.035 -10.250 6.128 1.00 0.00 O ATOM 824 CB GLU A 56 14.963 -10.910 8.446 1.00 0.00 C ATOM 825 CG GLU A 56 15.006 -10.442 9.902 1.00 0.00 C ATOM 826 CD GLU A 56 13.907 -11.115 10.727 1.00 0.00 C ATOM 827 OE1 GLU A 56 12.726 -10.907 10.374 1.00 0.00 O ATOM 828 OE2 GLU A 56 14.272 -11.821 11.692 1.00 0.00 O ATOM 0 H GLU A 56 13.668 -10.709 6.340 1.00 0.00 H new ATOM 0 HA GLU A 56 14.825 -8.828 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.017 -11.416 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.756 -11.637 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.981 -10.671 10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.886 -9.359 9.943 1.00 0.00 H new ATOM 835 N CYS A 57 17.278 -8.676 7.734 1.00 0.00 N ATOM 836 CA CYS A 57 18.676 -8.422 7.429 1.00 0.00 C ATOM 837 C CYS A 57 19.470 -9.698 7.717 1.00 0.00 C ATOM 838 O CYS A 57 19.520 -10.159 8.856 1.00 0.00 O ATOM 839 CB CYS A 57 19.217 -7.225 8.213 1.00 0.00 C ATOM 840 SG CYS A 57 19.817 -5.839 7.180 1.00 0.00 S ATOM 0 H CYS A 57 16.900 -8.116 8.498 1.00 0.00 H new ATOM 0 HA CYS A 57 18.779 -8.160 6.376 1.00 0.00 H new ATOM 0 HB2 CYS A 57 18.431 -6.855 8.872 1.00 0.00 H new ATOM 0 HB3 CYS A 57 20.034 -7.565 8.850 1.00 0.00 H new ATOM 0 HG CYS A 57 20.249 -4.882 7.946 1.00 0.00 H new ATOM 845 N THR A 58 20.071 -10.232 6.663 1.00 0.00 N ATOM 846 CA THR A 58 20.860 -11.446 6.788 1.00 0.00 C ATOM 847 C THR A 58 22.261 -11.120 7.310 1.00 0.00 C ATOM 848 O THR A 58 22.641 -9.953 7.390 1.00 0.00 O ATOM 849 CB THR A 58 20.866 -12.147 5.428 1.00 0.00 C ATOM 850 OG1 THR A 58 21.768 -11.373 4.642 1.00 0.00 O ATOM 851 CG2 THR A 58 19.528 -12.019 4.697 1.00 0.00 C ATOM 0 H THR A 58 20.027 -9.846 5.720 1.00 0.00 H new ATOM 0 HA THR A 58 20.425 -12.127 7.519 1.00 0.00 H new ATOM 0 HB THR A 58 21.105 -13.202 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 58 21.833 -11.759 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.587 -12.534 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.739 -12.466 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 58 19.304 -10.965 4.530 1.00 0.00 H new ATOM 859 N PHE A 59 22.990 -12.172 7.651 1.00 0.00 N ATOM 860 CA PHE A 59 24.341 -12.012 8.162 1.00 0.00 C ATOM 861 C PHE A 59 24.356 -11.111 9.399 1.00 0.00 C ATOM 862 O PHE A 59 24.265 -9.890 9.282 1.00 0.00 O ATOM 863 CB PHE A 59 25.164 -11.352 7.054 1.00 0.00 C ATOM 864 CG PHE A 59 26.667 -11.306 7.339 1.00 0.00 C ATOM 865 CD1 PHE A 59 27.146 -10.516 8.337 1.00 0.00 C ATOM 866 CD2 PHE A 59 27.523 -12.055 6.593 1.00 0.00 C ATOM 867 CE1 PHE A 59 28.541 -10.473 8.601 1.00 0.00 C ATOM 868 CE2 PHE A 59 28.917 -12.012 6.857 1.00 0.00 C ATOM 869 CZ PHE A 59 29.397 -11.222 7.855 1.00 0.00 C ATOM 0 H PHE A 59 22.671 -13.138 7.584 1.00 0.00 H new ATOM 0 HA PHE A 59 24.748 -12.982 8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 59 24.998 -11.891 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 59 24.802 -10.335 6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 59 26.466 -9.921 8.929 1.00 0.00 H new ATOM 0 HD2 PHE A 59 27.142 -12.682 5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 59 28.922 -9.846 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 59 29.597 -12.607 6.265 1.00 0.00 H new ATOM 0 HZ PHE A 59 30.458 -11.189 8.055 1.00 0.00 H new TER 879 PHE A 59